Literature summary for 3.4.22.56 extracted from

Chen, Y.H.; Zhang, Y.H.; Zhang, H.J.; Liu, D.Z.; Gu, M.; Li, J.Y.; Wu, F.; Zhu, X.Z.; Li, J.; Nan, F.J.
Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors (2006), J. Med. Chem., 49, 1613-1623.

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Inhibitors

Inhibitors	Comment	Organism
2-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide	50% inhibition at 92 nM	Homo sapiens
2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide	50% inhibition at 96 nM	Homo sapiens
2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide	50% inhibition at 103 nM	Homo sapiens
2-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide	50% inhibition at 62 nM	Homo sapiens
3-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide	50% inhibition at 83 nM, comparison with inhibitory effect on caspase-2, caspase-6, caspase-7, caspase-8, papain, proteasome, trypsin and thrombin	Homo sapiens
3-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide	50% inhibition at 53 nM	Homo sapiens
4-fluoro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide	50% inhibition at 99 nM	Homo sapiens
4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide	50% inhibition at 54 nM	Homo sapiens
4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide	50% inhibition at 25 nM, comparison with inhibitory effect on caspase-2, caspase-6, caspase-7, caspase-8, papain, proteasome, trypsin and thrombin	Homo sapiens
4-oxo-4-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]butanoic acid	50% inhibition at 68 nM, comparison with inhibitory effect on caspase-2, caspase-6, caspase-7, caspase-8, papain, proteasome, trypsin and thrombin	Homo sapiens
5-oxo-5-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pentanoic acid	50% inhibition at 79 nM	Homo sapiens
acetyl-DEVD-aldehyde	50% inhibition at 21 nM	Homo sapiens
isoquinoline-1,3,4(2H)-trione	50% inhibition at 149 nM	Homo sapiens
methyl 3-nitro-5-[[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]carbonyl]benzoate	50% inhibition at 104 nM	Homo sapiens
methyl 3-nitro-5-[[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]carbonyl]benzoate	50% inhibition at 66 nM	Homo sapiens
N-(2-methoxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)succinamide	50% inhibition at 113 nM, comparison with inhibitory effect on caspase-2, caspase-6, caspase-7, caspase-8, papain, proteasome, trypsin and thrombin	Homo sapiens
N-(3-ethoxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)succinamide	50% inhibition at 55 nM	Homo sapiens
N-(3-propyloxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)succinamide	50% inhibition at 71 nM	Homo sapiens
N-allyl-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)succinamide	50% inhibition at 44 nM	Homo sapiens
N-propyl-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)succinamide	50% inhibition at 59 nM	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	recombinant catalytic domain of enzyme	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetyl-DEVD-4-nitroanilide + H2O	-	Homo sapiens	acetyl-DEVD + 4-nitroaniline	-	?